6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-N-phenethyl-pyrimidin-4-amine

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-N-phenethyl-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-5-nitro-N-phenethyl-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-N-phenethyl-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-5-nitro-N-phenethylpyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C29H30N6O2 MolecularWeight: 494.5875

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N6O2/c36-35(37)27-28(30-17-16-23-10-4-1-5-11-23)31-22-32-29(27)34-20-18-33(19-21-34)26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,22,26H,16-21H2,(H,30,31,32)